N-benzyl-4-chloro-N-(1-cyclopropylethyl)-3-morpholin-4-ylsulfonylbenzamide

C23H27ClN2O4S — CID 75854481

IUPACN-benzyl-4-chloro-N-(1-cyclopropylethyl)-3-morpholin-4-ylsulfonylbenzamide
SMILESCC(C1CC1)N(Cc1ccccc1)C(=O)c1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1
InChIInChI=1S/C23H27ClN2O4S/c1-17(19-7-8-19)26(16-18-5-3-2-4-6-18)23(27)20-9-10-21(24)22(15-20)31(28,29)25-11-13-30-14-12-25/h2-6,9-10,15,17,19H,7-8,11-14,16H2,1H3
InChIKeyAONFGJRVSSRYFK-UHFFFAOYSA-N
MW463.00 g/mol
LogP3.80
Rot. Bonds7

About N-benzyl-4-chloro-N-(1-cyclopropylethyl)-3-morpholin-4-ylsulfonylbenzamide

N-benzyl-4-chloro-N-(1-cyclopropylethyl)-3-morpholin-4-ylsulfonylbenzamide (PubChem CID 75854481) has the molecular formula C23H27ClN2O4S and a molecular weight of 463.00 g/mol. Its IUPAC name is N-benzyl-4-chloro-N-(1-cyclopropylethyl)-3-morpholin-4-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-benzyl-4-chloro-N-(1-cyclopropylethyl)-3-morpholin-4-ylsulfonylbenzamide
PubChem CID75854481
Molecular FormulaC23H27ClN2O4S
Molecular Weight463.00 g/mol
Exact Mass462.14
IUPAC NameN-benzyl-4-chloro-N-(1-cyclopropylethyl)-3-morpholin-4-ylsulfonylbenzamide
SMILESCC(C1CC1)N(Cc1ccccc1)C(=O)c1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1
InChIInChI=1S/C23H27ClN2O4S/c1-17(19-7-8-19)26(16-18-5-3-2-4-6-18)23(27)20-9-10-21(24)22(15-20)31(28,29)25-11-13-30-14-12-25/h2-6,9-10,15,17,19H,7-8,11-14,16H2,1H3
InChIKeyAONFGJRVSSRYFK-UHFFFAOYSA-N
XLogP3.80
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.00
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-N-butan-2-yl-4-fluoro-3-morpholin-4-ylsulfonylbenzamide
CID 18190315
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CID 43021977
N-benzyl-4-chloro-N-[(1S)-1-cyclopropylethyl]benzamide
CID 92643816
4-chloro-N,N-dimethyl-3-morpholin-4-ylsulfonylbenzamide
CID 1092795
N-butan-2-yl-N-butyl-4-chloro-3-morpholin-4-ylsulfonylbenzamide
CID 60592193
N-benzyl-4-bromo-N-(1-cyclopropylethyl)-3-(dimethylsulfamoyl)benzamide
CID 55558311
4-chloro-N-(2-methoxyethyl)-3-morpholin-4-ylsulfonyl-N-pentan-3-ylbenzamide
CID 55664196
(4-chloro-3-morpholin-4-ylsulfonylphenyl)-morpholin-4-ylmethanone
CID 1087746
N-benzyl-4-methyl-N-(3-methylphenyl)-3-morpholin-4-ylsulfonylbenzamide
CID 25163174
N-butyl-4-chloro-N-methyl-3-morpholin-4-ylsulfonylbenzamide
CID 52539969
[2-(benzylamino)-2-oxoethyl] 4-chloro-3-morpholin-4-ylsulfonylbenzoate
CID 55313206
N-benzyl-N-(furan-2-ylmethyl)-4-methyl-3-morpholin-4-ylsulfonylbenzamide
CID 37429678

Frequently Asked Questions

What is the IUPAC name of N-benzyl-4-chloro-N-(1-cyclopropylethyl)-3-morpholin-4-ylsulfonylbenzamide?
The IUPAC name of N-benzyl-4-chloro-N-(1-cyclopropylethyl)-3-morpholin-4-ylsulfonylbenzamide (CID 75854481) is N-benzyl-4-chloro-N-(1-cyclopropylethyl)-3-morpholin-4-ylsulfonylbenzamide.
What is the SMILES notation for N-benzyl-4-chloro-N-(1-cyclopropylethyl)-3-morpholin-4-ylsulfonylbenzamide?
The canonical SMILES for N-benzyl-4-chloro-N-(1-cyclopropylethyl)-3-morpholin-4-ylsulfonylbenzamide is CC(C1CC1)N(Cc1ccccc1)C(=O)c1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1.
What is the InChIKey of N-benzyl-4-chloro-N-(1-cyclopropylethyl)-3-morpholin-4-ylsulfonylbenzamide?
The InChIKey is AONFGJRVSSRYFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27ClN2O4S/c1-17(19-7-8-19)26(16-18-5-3-2-4-6-18)23(27)20-9-10-21(24)22(15-20)31(28,29)25-11-13-30-14-12-25/h2-6,9-10,15,17,19H,7-8,11-14,16H2,1H3.
What are the key properties of N-benzyl-4-chloro-N-(1-cyclopropylethyl)-3-morpholin-4-ylsulfonylbenzamide?
N-benzyl-4-chloro-N-(1-cyclopropylethyl)-3-morpholin-4-ylsulfonylbenzamide has a molecular weight of 463.00 g/mol, XLogP of 3.80, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-4-chloro-N-(1-cyclopropylethyl)-3-morpholin-4-ylsulfonylbenzamide is sourced from PubChem (CID 75854481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).